N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide

C16H23N3O3 — CID 109398195

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
SMILESCc1oc(NC(=O)CN(C)CC2CCCC2O)c(C#N)c1C
InChIInChI=1S/C16H23N3O3/c1-10-11(2)22-16(13(10)7-17)18-15(21)9-19(3)8-12-5-4-6-14(12)20/h12,14,20H,4-6,8-9H2,1-3H3,(H,18,21)
InChIKeyDVGWWTXDIAUJLN-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.80
Rot. Bonds5

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide (PubChem CID 109398195) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
PubChem CID109398195
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
SMILESCc1oc(NC(=O)CN(C)CC2CCCC2O)c(C#N)c1C
InChIInChI=1S/C16H23N3O3/c1-10-11(2)22-16(13(10)7-17)18-15(21)9-19(3)8-12-5-4-6-14(12)20/h12,14,20H,4-6,8-9H2,1-3H3,(H,18,21)
InChIKeyDVGWWTXDIAUJLN-UHFFFAOYSA-N
XLogP1.80
TPSA89.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide (CID 109398195) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide is Cc1oc(NC(=O)CN(C)CC2CCCC2O)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide?
The InChIKey is DVGWWTXDIAUJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10-11(2)22-16(13(10)7-17)18-15(21)9-19(3)8-12-5-4-6-14(12)20/h12,14,20H,4-6,8-9H2,1-3H3,(H,18,21).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide has a molecular weight of 305.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide is sourced from PubChem (CID 109398195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).